4-(2-amino-2-oxoethoxy)-N-[(R)-(4-bromophenyl)-phenylmethyl]-3,5-dimethoxybenzamide

C24H23BrN2O5 — CID 52909496

IUPAC4-(2-amino-2-oxoethoxy)-N-[(R)-(4-bromophenyl)-phenylmethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2)cc(OC)c1OCC(N)=O
InChIInChI=1S/C24H23BrN2O5/c1-30-19-12-17(13-20(31-2)23(19)32-14-21(26)28)24(29)27-22(15-6-4-3-5-7-15)16-8-10-18(25)11-9-16/h3-13,22H,14H2,1-2H3,(H2,26,28)(H,27,29)/t22-/m1/s1
InChIKeyVRDBIQYNMWRVLR-JOCHJYFZSA-N
MW499.36 g/mol
LogP3.85
Rot. Bonds9

About 4-(2-amino-2-oxoethoxy)-N-[(R)-(4-bromophenyl)-phenylmethyl]-3,5-dimethoxybenzamide

4-(2-amino-2-oxoethoxy)-N-[(R)-(4-bromophenyl)-phenylmethyl]-3,5-dimethoxybenzamide (PubChem CID 52909496) has the molecular formula C24H23BrN2O5 and a molecular weight of 499.36 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[(R)-(4-bromophenyl)-phenylmethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-[(R)-(4-bromophenyl)-phenylmethyl]-3,5-dimethoxybenzamide
PubChem CID52909496
Molecular FormulaC24H23BrN2O5
Molecular Weight499.36 g/mol
Exact Mass498.08
IUPAC Name4-(2-amino-2-oxoethoxy)-N-[(R)-(4-bromophenyl)-phenylmethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2)cc(OC)c1OCC(N)=O
InChIInChI=1S/C24H23BrN2O5/c1-30-19-12-17(13-20(31-2)23(19)32-14-21(26)28)24(29)27-22(15-6-4-3-5-7-15)16-8-10-18(25)11-9-16/h3-13,22H,14H2,1-2H3,(H2,26,28)(H,27,29)/t22-/m1/s1
InChIKeyVRDBIQYNMWRVLR-JOCHJYFZSA-N
XLogP3.85
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.36
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-phenylmethyl]-3,5-dimethoxybenzamide
CID 55583447
4-(2-amino-2-oxoethoxy)-N-[(4-chlorophenyl)-phenylmethyl]-3-methoxybenzamide
CID 55414528
4-(2-amino-2-oxoethoxy)-N-(2-amino-2-phenylethyl)-3,5-dimethoxybenzamide
CID 119527473
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzamide
CID 17442232
N-[(R)-(2-bromophenyl)-phenylmethyl]-3,4,5-trimethoxybenzamide
CID 985979
N-[(4-bromophenyl)-phenylmethyl]-3-methoxybenzamide
CID 2952126
2-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]amino]-3-methylbutanoic acid
CID 119169977
4-(2-amino-2-oxoethoxy)-3-chloro-N-[1-(3-chlorophenyl)propyl]-5-methoxybenzamide
CID 55582198
4-(2-amino-2-oxoethoxy)-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3,5-dimethoxybenzamide
CID 55429630
3,4,5-trimethoxy-N-[(S)-phenyl(pyridin-3-yl)methyl]benzamide
CID 92500137
4-(2-amino-2-oxoethoxy)-N-[(4-butylphenyl)-thiophen-2-ylmethyl]-3-chloro-5-methoxybenzamide
CID 24597433
3,4,5-trimethoxy-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
CID 92647148

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[(R)-(4-bromophenyl)-phenylmethyl]-3,5-dimethoxybenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[(R)-(4-bromophenyl)-phenylmethyl]-3,5-dimethoxybenzamide (CID 52909496) is 4-(2-amino-2-oxoethoxy)-N-[(R)-(4-bromophenyl)-phenylmethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[(R)-(4-bromophenyl)-phenylmethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[(R)-(4-bromophenyl)-phenylmethyl]-3,5-dimethoxybenzamide is COc1cc(C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2)cc(OC)c1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[(R)-(4-bromophenyl)-phenylmethyl]-3,5-dimethoxybenzamide?
The InChIKey is VRDBIQYNMWRVLR-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H23BrN2O5/c1-30-19-12-17(13-20(31-2)23(19)32-14-21(26)28)24(29)27-22(15-6-4-3-5-7-15)16-8-10-18(25)11-9-16/h3-13,22H,14H2,1-2H3,(H2,26,28)(H,27,29)/t22-/m1/s1.
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[(R)-(4-bromophenyl)-phenylmethyl]-3,5-dimethoxybenzamide?
4-(2-amino-2-oxoethoxy)-N-[(R)-(4-bromophenyl)-phenylmethyl]-3,5-dimethoxybenzamide has a molecular weight of 499.36 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-[(R)-(4-bromophenyl)-phenylmethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 52909496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).